(2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide

C24H37N3O2S — CID 97092542

IUPAC(2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide
SMILESCC1CCN([C@@H](CNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)c2cccs2)CC1
InChIInChI=1S/C24H37N3O2S/c1-18-11-14-26(15-12-18)21(22-10-6-16-30-22)17-25-23(28)20-9-5-13-27(20)24(29)19-7-3-2-4-8-19/h6,10,16,18-21H,2-5,7-9,11-15,17H2,1H3,(H,25,28)/t20-,21+/m1/s1
InChIKeyZUKLWBIQPNHTTL-RTWAWAEBSA-N
MW431.65 g/mol
LogP4.21
Rot. Bonds6

About (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide

(2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 97092542) has the molecular formula C24H37N3O2S and a molecular weight of 431.65 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide
PubChem CID97092542
Molecular FormulaC24H37N3O2S
Molecular Weight431.65 g/mol
Exact Mass431.26
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide
SMILESCC1CCN([C@@H](CNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)c2cccs2)CC1
InChIInChI=1S/C24H37N3O2S/c1-18-11-14-26(15-12-18)21(22-10-6-16-30-22)17-25-23(28)20-9-5-13-27(20)24(29)19-7-3-2-4-8-19/h6,10,16,18-21H,2-5,7-9,11-15,17H2,1H3,(H,25,28)/t20-,21+/m1/s1
InChIKeyZUKLWBIQPNHTTL-RTWAWAEBSA-N
XLogP4.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide
CID 97092540
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822019
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053321
(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 95761647
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide
CID 55937478
1-propylsulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 134057497
(3S)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30523490
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 112504779
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-prop-2-ynylguanidine
CID 111323372
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide (CID 97092542) is (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide is CC1CCN([C@@H](CNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)c2cccs2)CC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is ZUKLWBIQPNHTTL-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H37N3O2S/c1-18-11-14-26(15-12-18)21(22-10-6-16-30-22)17-25-23(28)20-9-5-13-27(20)24(29)19-7-3-2-4-8-19/h6,10,16,18-21H,2-5,7-9,11-15,17H2,1H3,(H,25,28)/t20-,21+/m1/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 431.65 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97092542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).